2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide

C23H21F2NO3 — CID 30253696

IUPAC2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(COC(c1ccccc1)c1ccccc1)NCc1ccccc1OC(F)F
InChIInChI=1S/C23H21F2NO3/c24-23(25)29-20-14-8-7-13-19(20)15-26-21(27)16-28-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,22-23H,15-16H2,(H,26,27)
InChIKeySYSKVRIYSNVFJA-UHFFFAOYSA-N
MW397.42 g/mol
LogP4.71
Rot. Bonds9

About 2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide

2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (PubChem CID 30253696) has the molecular formula C23H21F2NO3 and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
PubChem CID30253696
Molecular FormulaC23H21F2NO3
Molecular Weight397.42 g/mol
Exact Mass397.15
IUPAC Name2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(COC(c1ccccc1)c1ccccc1)NCc1ccccc1OC(F)F
InChIInChI=1S/C23H21F2NO3/c24-23(25)29-20-14-8-7-13-19(20)15-26-21(27)16-28-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,22-23H,15-16H2,(H,26,27)
InChIKeySYSKVRIYSNVFJA-UHFFFAOYSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
CID 60711310
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
CID 51129432
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430390
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
2-(4-chlorophenyl)sulfonyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 24614465
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (CID 30253696) is 2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is O=C(COC(c1ccccc1)c1ccccc1)NCc1ccccc1OC(F)F.
What is the InChIKey of 2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is SYSKVRIYSNVFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO3/c24-23(25)29-20-14-8-7-13-19(20)15-26-21(27)16-28-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,22-23H,15-16H2,(H,26,27).
What are the key properties of 2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 397.42 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 30253696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).